UCSF

ZINC04400832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.17 11.3 -17.43 2 5 0 63 421.566 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )